Information card for entry 2209764

Structure parameters

• Chemical name: 1,2-Bis(2-thiazolin-2-ylsulfanyl)ethane
• Formula: C8 H12 N2 S4
• Calculated formula: C8 H12 N2 S4
• SMILES: C(SC1=NCCS1)CSC1=NCCS1
• Title of publication: 1,2-Bis(2-thiazolin-2-ylsulfanyl)ethane
• Authors of publication: Wei Wang; Jing Wang; Bing Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3356 - o3357
• a: 5.8169 ± 0.0013 Å
• b: 10.001 ± 0.002 Å
• c: 10.216 ± 0.002 Å
• α: 90°
• β: 95.187 ± 0.004°
• γ: 90°
• Cell volume: 591.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes